| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 21 | Yes |
Popular Name: N-[[2-[(isobutylamino)methyl]thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine N-[[2-[(isobutylamino)methyl]thi…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.62 | 6.03 | -38.72 | 2 | 3 | 1 | 33 | 322.42 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 4.66 | -7.44 | 1 | 3 | 0 | 28 | 321.412 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.62 | 7.77 | -94.16 | 3 | 3 | 2 | 34 | 323.428 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
